5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine

C27H23Cl2N5 — CID 66805955

IUPAC5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine
SMILESCc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Cl)c(Cl)c3)c-2c/c1=N\C(C)C
InChIInChI=1S/C27H23Cl2N5/c1-16(2)31-24-15-27-25(14-23(24)32-21-8-6-12-30-17(21)3)33-22-7-4-5-9-26(22)34(27)18-10-11-19(28)20(29)13-18/h4-16,32H,1-3H3/b31-24+
InChIKeyGOXCTJHVJNLWPS-QFMPWRQOSA-N
MW488.42 g/mol
LogP7.19
Rot. Bonds4

About 5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine

5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine (PubChem CID 66805955) has the molecular formula C27H23Cl2N5 and a molecular weight of 488.42 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine
PubChem CID66805955
Molecular FormulaC27H23Cl2N5
Molecular Weight488.42 g/mol
Exact Mass487.13
IUPAC Name5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine
SMILESCc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Cl)c(Cl)c3)c-2c/c1=N\C(C)C
InChIInChI=1S/C27H23Cl2N5/c1-16(2)31-24-15-27-25(14-23(24)32-21-8-6-12-30-17(21)3)33-22-7-4-5-9-26(22)34(27)18-10-11-19(28)20(29)13-18/h4-16,32H,1-3H3/b31-24+
InChIKeyGOXCTJHVJNLWPS-QFMPWRQOSA-N
XLogP7.19
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.42
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine (CID 66805955) is 5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine is Cc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Cl)c(Cl)c3)c-2c/c1=N\C(C)C.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine?
The InChIKey is GOXCTJHVJNLWPS-QFMPWRQOSA-N. The full InChI is InChI=1S/C27H23Cl2N5/c1-16(2)31-24-15-27-25(14-23(24)32-21-8-6-12-30-17(21)3)33-22-7-4-5-9-26(22)34(27)18-10-11-19(28)20(29)13-18/h4-16,32H,1-3H3/b31-24+.
What are the key properties of 5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine?
5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine has a molecular weight of 488.42 g/mol, XLogP of 7.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine is sourced from PubChem (CID 66805955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).